2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H14F3NO3 — CID 79258669

IUPAC2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-6(13)3-12(4-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyNYMYVPVNOKQTEK-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.71
Rot. Bonds6

About 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258669) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258669
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-6(13)3-12(4-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyNYMYVPVNOKQTEK-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258669) is 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid is CCC(O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NYMYVPVNOKQTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-6(13)3-12(4-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 229.20 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxybutyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).